CID 45055307

1-(2-(((1-br-2-naphthyl)oxy)acetyl)carbohydrazonoyl)-2-naphthyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C32H25BrN2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)COC4=C(C5=CC=CC=C5C=C4)Br
InChI
InChI=1S/C32H25BrN2O5/c1-2-38-24-15-11-23(12-16-24)32(37)40-28-17-13-21-7-3-5-9-25(21)27(28)19-34-35-30(36)20-39-29-18-14-22-8-4-6-10-26(22)31(29)33/h3-19H,2,20H2,1H3,(H,35,36)/b34-19+
InChIKey
HOLNGPAIJXWMOF-ALQBTCKLSA-N
Compound name
[1-[(E)-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.09467 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.10195 237.3
[M+Na]+ 619.08389 243.4
[M-H]- 595.08739 250.2
[M+NH4]+ 614.12849 244.4
[M+K]+ 635.05783 232.8
[M+H-H2O]+ 579.09193 230.2
[M+HCOO]- 641.09287 256.1
[M+CH3COO]- 655.10852 257.4
[M+Na-2H]- 617.06934 240.8
[M]+ 596.09412 260.4
[M]- 596.09522 260.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.